2-ethanoyl-3-methyl-2-(trifluoromethyl)butanoate; oxidanylidenetitanium(2+); propan-2-one

Systemtic Name: 2-ethanoyl-3-methyl-2-(trifluoromethyl)butanoate; oxidanylidenetitanium(2+); propan-2-one Openeye Name: acetone; 2-acetyl-3-methyl-2-(trifluoromethyl)butanoate; oxotitanium(2+) CAS Name: 2-acetyl-3-methyl-2-(trifluoromethyl)butanoate; oxotitanium(2+); 2-propanone IUPAC Name: 2-acetyl-3-methyl-2-(trifluoromethyl)butanoate; oxotitanium(2+); propan-2-one Traditional Name: acetone; 2-acetyl-3-methyl-2-(trifluoromethyl)butyrate; ketotitanium(2+) Formula: C19H26F6O8Ti MolecularWeight: 544.262359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C)(C(=O)[O-])C(F)(F)F.CC(C)C(C(=O)C)(C(=O)[O-])C(F)(F)F.CC(=O)C.O=[Ti+2]

Isomeric SMILES

CC(C)C(C(=O)C)(C(=O)[O-])C(F)(F)F.CC(C)C(C(=O)C)(C(=O)[O-])C(F)(F)F.CC(=O)C.O=[Ti+2]

InChI

InChI=1S/2C8H11F3O3.C3H6O.O.Ti/c2*1-4(2)7(5(3)12,6(13)14)8(9,10)11;1-3(2)4;;/h2*4H,1-3H3,(H,13,14);1-2H3;;/q;;;;+2/p-2